electron density map

electron density map

a three-dimensional representation of the structure of a substance or molecular entity derived from x-ray diffraction analysis.
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This is because the crystal structure is solved using the electron density map, and the electrons of the hydrogen atom are mostly between the hydrogen and carbon atoms' nuclei in the sigma bond.
Crystallographic Visualization has been added to MOE and Electron Density Map visualization.
By comparing the resulting patterns of scattered X-rays for the two crystal variants, the researchers were able to "back-calculate' an electron density map that effectively shows the atomic structure of the molecule with a resolution of 3.
Some specific areas explored include proton charge transport in nafion nanochannels, optical properties of non-periodic dielectric systems made of nanostructured porous silicon, Fourier electron density maps for nanostructured sol-gel solids, and the effects of morphology on the electronic properties of hydrogenated silicon carbide nanowires.
Lowis adds, "Visualization enhancements and capabilities include interaction surfaces (Lee & Richards surface); H-bond and hydrophobic surface color trait; and enhanced isosurface generation and usability, especially for electron density maps.
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